2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

C18H19ClN2O3 — CID 43915055

IUPAC2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(24-16-6-4-3-5-15(16)19)18(23)21-14-9-7-13(8-10-14)11-17(22)20-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBQXYGIYAANJCDQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (PubChem CID 43915055) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
PubChem CID43915055
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(24-16-6-4-3-5-15(16)19)18(23)21-14-9-7-13(8-10-14)11-17(22)20-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBQXYGIYAANJCDQ-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
CID 54780661
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
CID 43888076
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(4-phenylphenoxy)propanamide
CID 43915059
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-2-(2-methylphenoxy)propanamide
CID 54780693

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (CID 43915055) is 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is CNC(=O)Cc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is BQXYGIYAANJCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(24-16-6-4-3-5-15(16)19)18(23)21-14-9-7-13(8-10-14)11-17(22)20-2/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 346.81 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 43915055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).